[Pw_forum] 3D vectors for charge density 2D plot

Mohamad Moadeli mohammad.moaddeli at gmail.com
Tue Apr 5 19:56:44 CEST 2016


Dear all,

I am trying to plot a 2D charge density for a hexagonal lattice. According
to the pp.x input file description, e1(i), i=1,3 is "3D vector which
determines the plotting line". Are these 3D vectors based on Cartesian
system of coordinates?
A (1 0 0) vector is a vector along the x axis or along the V1 vector that
is defined as the crystal axis for ibrav 4?

regards,

Mohammad Moaddeli,
Shahid Chamran University of Ahvaz
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